Information card for entry 7048516

Structure parameters

• Formula: C98.02 H104.06 B2.04 Cu2 F8.16 N2 O4 P4 S2
• Calculated formula: C98.016 H104.056 B2.038 Cu2 F8.152 N2 O4 P4 S2
• Title of publication: Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.
• Authors of publication: Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 1263 - 1274
• a: 12.6003 ± 0.0014 Å
• b: 13.8878 ± 0.0015 Å
• c: 15.3231 ± 0.0016 Å
• α: 72.305 ± 0.004°
• β: 71.948 ± 0.004°
• γ: 66.698 ± 0.004°
• Cell volume: 2290.4 ± 0.4 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No